4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazinyl]-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[4-(2-hydroxyethyl)piperazino]-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N2CCN(CC2)CCO)C#N)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)N2CCN(CC2)CCO)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS/c1-25-18-20-16(14-5-3-2-4-6-14)15(13-19)17(21-18)23-9-7-22(8-10-23)11-12-24/h2-6,24H,7-12H2,1H3